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DocumentationIdentifier: MM245267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245267 |
| SMILES |
CCN(C)CC(O)C(N)=O
|
| InChIKey |
LIGISPUCAALCOY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133659
Similarity: 0.7686
Similarity to MM133659
| Tanimoto metric | 0.7686 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301442
Similarity: 0.6947
Similarity to MM301442
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.8198 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163411
Similarity: 0.6619
Similarity to MM163411
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7974 |
| Dice metric | 0.7965 |
| MW: | 143.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
